Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.53 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | PDE2A | O00408 | 1/20 | 0.49 |
| ▸ | PDE5A | O76074 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | APEX1 | P27695 | 1/20 | 0.49 |
| ▸ | PDE4A | P27815 | 1/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.49 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.49 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.49 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.49 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.49 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.49 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.49 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11765362 | 1.00 | ALDH1A1 (0.53) | ALDH1A1TDP1TSHRCYP3A4PDE2A | |
| SCHEMBL20494421 | 0.84 | L3MBTL1 (0.56) | ALDH1A1TDP1TSHRCYP3A4ALOX15 | |
| SCHEMBL18146778 | 0.83 | ALDH1A1 (0.51) | ALDH1A1TDP1CYP3A4ALOX15MAPT | |
| SCHEMBL18146775 | 0.83 | ALDH1A1 (0.51) | ALDH1A1TDP1CYP3A4ALOX15MAPT | |
| SCHEMBL1131658 | 0.81 | ALDH1A1 (0.62) | ALDH1A1TDP1TSHRCYP3A4PDE2A | |
| SCHEMBL11735933 | 0.80 | TP53 (0.52) | ALDH1A1TDP1TSHRCYP3A4PDE2A | |
| SCHEMBL18147565 | 0.80 | ALDH1A1 (0.60) | ALDH1A1TDP1MAPTHTTL3MBTL1 | |
| SCHEMBL11735944 | 0.80 | TP53 (0.52) | ALDH1A1TDP1TSHRCYP3A4PDE2A | |
| SCHEMBL18147563 | 0.80 | ALDH1A1 (0.60) | ALDH1A1TDP1MAPTHTTL3MBTL1 | |
| SCHEMBL15156110 | 0.80 | ALDH1A1 (0.46) | ALDH1A1TDP1TSHRCYP3A4PDE2A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4052437-A | PROCESS FOR PRODUCING URETHANE FROM NITRO COMPOUNDS, HYDROXYL COMPOUNDS AND CARBON MONOXIDE USING RHODIUM OXIDE CATALYSTS | ETHYL CORPORATION (US) | 1977-10-04 | — | — | US | disclosed |